BDBM50016460 (S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL296373::Edatrexate::GNF-Pf-63::TCMDC-137768

SMILES: CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=FSIRXIHZBIXHKT-UHFFFAOYSA-N

Data: 3 KI  9 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50016460   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrofolate reductase (Human)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mouse)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mouse)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.00280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mouse)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mouse)	BDBM50016460 (Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...) Show SMILES Show InChI	GoogleScholar	UniChem		990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair